tatsiana kirys wrote:
Hi,
i'm trying to write each frame from the bebining time=0.0 to the end
time=6000 to a separate file, but it writes only the 1frame at time 0.0:
trjconv -f 1ktz_p1_em.gro -s 1ktz_p1_em.tpr -o 1ktz_0.pdb -b 0.0 -e
6000.0 -sep
Reading frames from gro file 'GROningen MAchine for Chemical
Simulation', 1148 atoms.
Reading frame 0 time 0.000
Precision of 1ktz_p1_em.gro is 0.001 (nm)
Last frame 0 time 0.000
What does gmxcheck tell you about the .gro file? It likely does not contain
6000 ps worth of data.
i guess i should provide index.ndx of frames.ndx.
i havn't found anithing about what to write in these files and in what
format.
They're not necessary for what you're trying to do.
-Justin
Tania
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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